(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol

C11H24O3 — CID 131853191

IUPAC(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol
SMILESCO[C@H](C)C[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C11H24O3/c1-7(2)11(13)9(4)10(12)6-8(3)14-5/h7-13H,6H2,1-5H3/t8-,9+,10+,11-/m1/s1
InChIKeyMHQWTUFUPULVTA-VPOLOUISSA-N
MW204.31 g/mol
LogP1.43
Rot. Bonds6

About (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol

(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol (PubChem CID 131853191) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol.

Molecular Properties

Compound Name(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol
PubChem CID131853191
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol
SMILESCO[C@H](C)C[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C11H24O3/c1-7(2)11(13)9(4)10(12)6-8(3)14-5/h7-13H,6H2,1-5H3/t8-,9+,10+,11-/m1/s1
InChIKeyMHQWTUFUPULVTA-VPOLOUISSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Ethyl-2-methyl-4-undecanol
CID 97948
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
1,6-Octanediol, 3,7-dimethyl-
CID 103732
6-Ethyl-3-decanol
CID 140584
3-Methyl-2-octanol
CID 542298
(4-Methoxycyclohexyl)methanol
CID 18533153
2-Pentylnonane-1,3-diol
CID 251330
2-Butyloctane-1,3-diol
CID 296372
3,7-Dimethyl-2-octanol
CID 85830
3,9-Dimethyldodecan-6-ol
CID 10512837
4-Methyltridecan-7-ol
CID 10512838
4-Methyldodecan-7-ol
CID 10679552

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol?
The IUPAC name of (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol (CID 131853191) is (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol.
What is the SMILES notation for (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol?
The canonical SMILES for (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol is CO[C@H](C)C[C@H](O)[C@H](C)[C@H](O)C(C)C.
What is the InChIKey of (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol?
The InChIKey is MHQWTUFUPULVTA-VPOLOUISSA-N. The full InChI is InChI=1S/C11H24O3/c1-7(2)11(13)9(4)10(12)6-8(3)14-5/h7-13H,6H2,1-5H3/t8-,9+,10+,11-/m1/s1.
What are the key properties of (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol?
(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol has a molecular weight of 204.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol is sourced from PubChem (CID 131853191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).